Geometry & MOs

Info

ID:	190494
PubChem CID:	78011769
Reduced:	OF3N7C18H18 (1)
Stoich.:	AB3C7D18E18 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	5.78
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(2-pyridin-2-ylethynyl)-5-oxa-10,18-diazatetracyclo[8.8.0.03,7.012,17]octadecan-11-one

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N2CCCC2C(=O)NCC(F)(F)F)C3=CNC4=NC=NC=C34

DOS

IR

Vibrations